4-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Formula:C21H12N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H12N2O4Cl2
Smiles	N#C/C(/C(Nc(cc1)ccc1C(O)=O)=O)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C21H12Cl2N2O4/c22-14-3-7-18(23)17(10-14)19-8-6-16(29-19)9-13(11-24)20(26)25-15-4-1-12(2-5-15)21(27)28/h1-10H,(H,25,26)(H,27,28)
InChIK	UJZRPFORWFHKGH-UHFFFAOYSA-N
TotalMolweight	427.242
Molweight	427.242
MonoisotopicMass	426.017412
CLogP	4.6243
CLogS	-6.715
H Acceptors	6
H Donors	2
TotalSurfaceArea	313.04
Relative PSA	0.25016
PolarSurfaceArea	103.33
Druglikeness	-0.74551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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